cansyl / MDeePredLinks
Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
☆28Updated 4 years ago
Alternatives and similar repositories for MDeePred
Users that are interested in MDeePred are comparing it to the libraries listed below
Sorting:
- ☆17Updated 5 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- ☆38Updated 4 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆24Updated 3 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 4 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- ☆29Updated 4 years ago
- ☆28Updated 2 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- ☆28Updated last month
- Model to predict kinase-ligand pKi values.☆12Updated last year
- ☆30Updated last month
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated last year
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated last month
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆13Updated 4 years ago
- A Python 3 version of the protein descriptor package propy☆42Updated 2 years ago
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated 11 months ago
- Biosynthesis Navigator for Natural Products☆47Updated 2 years ago
- Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets☆12Updated 4 years ago
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆52Updated 3 months ago
- ☆33Updated last year
- An unofficial re-implementation of AntiBERTy, an antibody-specific protein language model, in PyTorch.☆24Updated last year
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆81Updated 4 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 4 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆28Updated 6 months ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago